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Compound Detail

CHEMBL4279901

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C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(N3CCC3)n2)n1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4279901
Phase Preclinical
Structure Type MOL
InChI Key HSMKSLUXGRHQJU-ZIAGYGMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
3.56
ALogP
7
HBA
2
HBD
78.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N7
MW 379.51
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine